---------------------- --GRRM-GDSP 02-- ---------[ HELP ]


		Atom	Cmpnd				EQ	 TS		Calc.Level
		  3	H2O				3       4		UB3LYP/6-31G(DP) UpDC=20 DownDC=20
		  3	HCN				2       1		B3LYP/6-31G(D)
		  3	CO2				3       2		B3LYP/6-31G(D)
		  4	H3N				1       1		B3LYP/6-31G(D)
		  4	H2CO				5       9		B3LYP/6-31G
		  4	H2CO				5      10		B3LYP/6-31G(D)
		  4	H2CO				21     62		UB3LYP/6-31G UpDC=20 DownDC=20
		  4	H2CO				5      12		B3LYP-D3/aug-cc-pVTZ
		  4	H2O2				2       5		B3LYP/6-31G(D)
		  4	HCNO				9      18		B3LYP/6-31G(D)
		  5	H4C				1       1		B3LYP/6-31G(D)
		  5	H2CO2				14     46		B3LYP/6-31G(D)
		  5	H2C2O				12    32		B3LYP/6-31G(D)
		  5	BCNOS				123   441		B3LYP/6-31G(D)
		  5	HC2NO				49    191		B3LYP/6-31G(D)
		  5	HC3N				11    33		B3LYP/6-31G(D)
		  6	H4C2				2      8		B3LYP/6-31G(D)
		  6	H4CO				2     14		B3LYP/6-31G(D)
		  6	H2C4				15    42		B3LYP/6-31G(D)
		  6	H4N2				3      9		B3LYP/6-31G(D)
		  6	H2C3O				217   1054		B3LYP/6-31G(D)
		  6	HC2NO2			36    161		B3LYP/6-31G(D)
		  6	H2C2N2			63    343		B3LYP/6-31G(D)
		  6	H3C2N				19    69		B3LYP/6-31G(D)
		  7	H3C3N				70    431		B3LYP/6-31G(D)
		  7	H4C2O				15    95		B3LYP/6-31G(D)
		  7	H3CNO2			157   1021		B3LYP/6-31G(D)
		  7	H2C2O3			179   1077		B3LYP/6-31G(D)
		  8	H4C4				32    171		B3LYP/6-31G(D)
		  8	H4N4				59    439		B3LYP/6-31G(D)
		  8	H4C2O2			118    782		B3LYP/6-31G(D)
		  8	H4C2O2			109    710		B3LYP/6-31G(D) Grid=UltraFine
		  8	H3CNO3			676   5181		B3LYP/6-31G(D)
		  8	H2C2O4			581   3932		B3LYP/6-31G(D)
		  9	H6CO2				3     16		B3LYP/6-31G(D)
		  9	H6C2O				7     58		B3LYP/6-31G(D)
		 10	C4F6				93    145		B3LYP/6-31G(D)
		 10	H6C2O2			122   775		B3LYP/6-31G(D)
		 10	H6C4				106    468		RHF/6-31G
		 10	H6C4				 99    366		B3LYP/6-31G(D)
		 10	H4C6				356    1061		B3LYP/6-31G(D) LADD5
		 10	H5C2NO2 Glycine		13     25		B3LYP/6-31G(D) LADD5 NoBondRearrange from glycine 
		 10	H5C2NO2			2690   17351	B3LYP/6-311++G(D,P)
		 11	H4C7				1488  4623		B3LYP/6-31G(D)
		 11	H6C3O2			1369  10104	B3LYP/6-31G(D)
		 12	H8C4 				12	 122		B3LYP/6-31G(D,P)
		 12	H6C3O3 KHP			98	 225		B3LYP/6-31G(D)   NoBondRearrange from KHP
		 12	H6C3O3 KHP			85	 171		B3LYP/6-31+G(D)  NoBondRearrange from KHP
		 12	H6C6 Benzene		2728  23566	RHF/6-31G
		 12	H6C6 Benzene		1644  13489	B3LYP/6-31G(D)
		 14	H10C4 Butane		3     34		B3LYP/6-31G(D)
		 15	H10C4O Butanol		200   1527		B3LYP/6-31G(D)
		 16	H8C4O4 (H2CO)4		59    152		B3LYP-D3/cc-pVDZ LADD4 BondCondition DwnDC12 RST@cc-pVTZ
		 17	H12C5				8     70		B3LYP/6-31G(d)
		 17	H12C5				9     61		B3LYP-D3/6-31G(d) ReStruct UltraFineGrid
		 18	H12C6 Cyclohexane		2     2		RHF/STO-3G      
		 18	H12C6 Cyclohexane		2     2		B3LYP/6-31G      NoBondRearrange
		 18	H12C6 Cyclohexane		2     2		B3LYP/cc-pVTZ      NoBondRearrange
		 24	H12C6O6 AlpahaGlucose	304   434		B3LYP/6-311++G(D,P) NoBondRearrange
		 24	H16O8 (H2O)8		19236	 0		B3LYP/6-31G(D) LADD5 EQOnly NoBondRearrange
		 36	H24O12 (H2O)12		5248   0		MP2/6-31G LADD2 EQonly BondCondition



    Click a chmical formula to see visualized data of the above samples. 
    In case of big data with many EQ and TS, very long time will be required for loading the data. 
    Performances depend on your browser and its setting.
    Some big data in the above samples may undergo data transfer troubles.




   GRRM-GDSP is a tool for visualizing results of the GRRM program

   The new version of GRRM-GDSP 2.03 (2020.08.09 revised) can be downloaded from the following Link.

    GuideBook of GRRRM-GDSP(in Japanese)(PDF) (451 KB)

    GRRM-GDSP Package(Zip) (580 KB)




		********************** GRRM-GDSP Version-02 ****************************


		GRRM-GDSP displays chemical structures and reaction channels 
		explored by the GRRM program [1-3].

		(JMOL is not required for version-02.)

		Equilibrium structures (EQ) are numbered as EQ0, EQ1, EQ2,
		from the lowest energy.

		Downward Dissociation Channels (DDC) via transition states (TS)
		and Upward Dissociation Channels (UDC)are listed.

		Click [EQn], [TSn], [DDCn], [UDCn] to show structural pictures.

		Click Link to jump to the respective structure.

		Click the mid point between TSn and ( to show the energy profile for EQ-TS-EQ'(or DC).

		Click Animation in the right for each [TSn] to start animation through the TSn.

		Click [o] in front of Links to open respective pictures.

		The following references [1-3] should be cited when publishing 
		results obtained by the GRRM program.

		[1]  Koichi Ohno and Satoshi Maeda, Chem. Phys. Lett. 384(2004)277-282.
		[2]  Satoshi Maeda and Koichi Ohno, J.Phys.Chem.A 109(2005)5742-5753.
		[3]  Koichi Ohno and Satoshi Maeda, J.Phys.Chem.A 110(2006)8933-8941.


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